Crystallography Open Database

Information card for entry 7116558

Preview

Coordinates	7116558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 B2 F8 Fe N5 O6
Calculated formula	C26 H35 B2 F8 Fe N5 O6
Title of publication	Single-ion magnet behaviour of heptacoordinated Fe(II) complexes: on the importance of supramolecular organization
Authors of publication	Arun Kumar Bar; Celine Pichon; Nayanmoni Gogoi; Carine Duhayon; S. Ramasesha; Jean-Pascal Sutter
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	3616
a	7.7688 ± 0.0004 Å
b	8.5125 ± 0.0004 Å
c	24.4247 ± 0.0011 Å
α	82.716 ± 0.002°
β	85.057 ± 0.002°
γ	84.926 ± 0.002°
Cell volume	1591.34 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for all reflections	0.0749
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.0875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116558.cif
131836	2015-02-13	cif/ Adding structures of 7116558, 7116559, 7116560 via cif-deposit CGI script.	7116558.cif